# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0TJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br0 Br -4.46900 -2.19500 0.68500 1.000 C1 C -2.97100 -1.18300 0.13200 1.000 C2 C -2.99500 0.19200 0.22000 1.000 Br3 Br -4.53300 1.06200 0.89500 1.000 C4 C -1.89900 0.94300 -0.18300 1.000 Br5 Br -1.95400 2.82900 -0.05400 1.000 C6 C -0.77000 0.32300 -0.67700 1.000 Br7 Br 0.71700 1.35600 -1.22300 1.000 C8 C -0.72800 -1.06200 -0.77300 1.000 C9 C -1.83200 -1.82700 -0.36100 1.000 N10 N -1.51000 -3.13000 -0.56700 1.000 C11 C -0.31100 -3.21100 -1.06500 1.000 N12 N 0.22000 -1.96700 -1.20900 1.000 C13 C 1.54900 -1.64500 -1.73600 1.000 C14 C 2.51900 -1.49200 -0.59300 1.000 O15 O 2.13800 -1.63700 0.54900 1.000 N16 N 3.81000 -1.19300 -0.84000 1.000 H17 H 0.19100 -4.13100 -1.32300 1.000 H18 H 1.88400 -2.44900 -2.39200 1.000 H19 H 1.50100 -0.71300 -2.29900 1.000 H20 H 4.11500 -1.07700 -1.75400 1.000 C21 C 4.75300 -1.04400 0.27100 1.000 C22 C 6.14100 -0.70900 -0.28000 1.000 C23 C 7.12600 -0.55300 0.88100 1.000 C24 C 8.51300 -0.21700 0.33000 1.000 C25 C 9.49800 -0.06100 1.49100 1.000 H26 H 4.41800 -0.24100 0.92700 1.000 H27 H 4.80100 -1.97600 0.83400 1.000 H28 H 6.47600 -1.51200 -0.93500 1.000 H29 H 6.09200 0.22400 -0.84300 1.000 H30 H 6.79100 0.25100 1.53600 1.000 H31 H 7.17400 -1.48500 1.44400 1.000 H32 H 8.84800 -1.02100 -0.32500 1.000 H33 H 8.46500 0.71500 -0.23300 1.000 H34 H 9.16300 0.74200 2.14600 1.000 H35 H 9.54700 -0.99300 2.05400 1.000 C36 C 10.86500 0.26900 0.94800 1.000 O37 O 11.44500 1.25500 1.33500 1.000 H38 H 11.32500 -0.37500 0.21500 1.000